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DocumentationIdentifier: MM172752
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172752 |
| SMILES |
C=CCC(C)C(=C)C=C
|
| InChIKey |
JSMAHZNLSUSKSY-UHFFFAOYSA-N
|
| MW [Da] |
122.21
Automatically obtained from RDkit software. |
| LogP |
2.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM111828
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| Tanimoto metric | 0.7941 |
|---|---|
| Cosine metric | 0.8911 |
| Dice metric | 0.8852 |
| MW: | 110.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.879 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.19 |
||||
|---|---|---|---|---|---|
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Total active interactions
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MM353218
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Similarity to MM353218
| Tanimoto metric | 0.7727 |
|---|---|
| Cosine metric | 0.879 |
| Dice metric | 0.8718 |
| MW: | 136.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+411 more
